4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide

C16H26N4O — CID 81299546

IUPAC4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)11-19-6-8-20(9-7-19)15-10-13(21-3)4-5-14(15)16(17)18/h4-5,10,12H,6-9,11H2,1-3H3,(H3,17,18)
InChIKeyCDDWUKBKTYAEOF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.76
Rot. Bonds5

About 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide

4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide (PubChem CID 81299546) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
PubChem CID81299546
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)11-19-6-8-20(9-7-19)15-10-13(21-3)4-5-14(15)16(17)18/h4-5,10,12H,6-9,11H2,1-3H3,(H3,17,18)
InChIKeyCDDWUKBKTYAEOF-UHFFFAOYSA-N
XLogP1.76
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125
2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
CID 81299371
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81278860
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 63089228
3-[4-(2-methylpropyl)piperazin-1-yl]pyridazine-4-carboximidamide
CID 80513375
4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 81303543
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303122
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
4-ethoxy-2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]benzenecarboximidamide
CID 167443750
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
The IUPAC name of 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide (CID 81299546) is 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCN(CC(C)C)CC1.
What is the InChIKey of 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
The InChIKey is CDDWUKBKTYAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)11-19-6-8-20(9-7-19)15-10-13(21-3)4-5-14(15)16(17)18/h4-5,10,12H,6-9,11H2,1-3H3,(H3,17,18).
What are the key properties of 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide?
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 81299546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).